SCHEMBL8044562

SCHEMBL8044562

COc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.76
PTGS1 P23219 5/20 0.67
SMN1; SMN2 Q16637 1/20 0.53
ERN1 O75460 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6724132 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8044560 0.86 PTGS2 (0.66) PTGS2PTGS1SMN1; SMN2
SCHEMBL5715568 0.84 PTGS2 (0.69) PTGS2SMN1; SMN2ERN1
SCHEMBL8974723 0.84 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6725713 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL213834 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL12326172 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL14499498 0.81 PTGS2 (0.71) PTGS2PTGS1SMN1; SMN2ERN1
SCHEMBL7500687 0.81 PTGS2 (0.67) PTGS2PTGS1SMN1; SMN2
SCHEMBL9117120 0.81 PTGS2 (1.00) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP claimed